N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-methoxy-N-{2-oxo-2-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]ethyl}benzamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-methoxy-N-{2-oxo-2-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]ethyl}benzamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-methoxy-N-{2-oxo-2-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]ethyl}benzamide
Compound characteristics
| Compound ID: | V028-1242 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-methoxy-N-{2-oxo-2-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]ethyl}benzamide |
| Molecular Weight: | 565.63 |
| Molecular Formula: | C32 H31 N5 O5 |
| Salt: | not_available |
| Smiles: | COc1cccc(c1)C(N(CC(N1CCN(CC1)c1ccc(c2ccccc2)nn1)=O)Cc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8007 |
| logD: | 3.7969 |
| logSw: | -4.0114 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 81.425 |
| InChI Key: | PPKZCLHDTOUJJI-UHFFFAOYSA-N |